6-(propan-2-ylamino)-1H-pyridine-2-thione

C8H12N2S — CID 139458752

IUPAC6-(propan-2-ylamino)-1H-pyridine-2-thione
SMILESCC(C)Nc1cccc(=S)[nH]1
InChIInChI=1S/C8H12N2S/c1-6(2)9-7-4-3-5-8(11)10-7/h3-6H,1-2H3,(H2,9,10,11)
InChIKeyCPSSBMGCHRRJTQ-UHFFFAOYSA-N
MW168.27 g/mol
LogP2.56
Rot. Bonds2

About 6-(propan-2-ylamino)-1H-pyridine-2-thione

6-(propan-2-ylamino)-1H-pyridine-2-thione (PubChem CID 139458752) has the molecular formula C8H12N2S and a molecular weight of 168.27 g/mol. Its IUPAC name is 6-(propan-2-ylamino)-1H-pyridine-2-thione.

Molecular Properties

Compound Name6-(propan-2-ylamino)-1H-pyridine-2-thione
PubChem CID139458752
Molecular FormulaC8H12N2S
Molecular Weight168.27 g/mol
Exact Mass168.07
IUPAC Name6-(propan-2-ylamino)-1H-pyridine-2-thione
SMILESCC(C)Nc1cccc(=S)[nH]1
InChIInChI=1S/C8H12N2S/c1-6(2)9-7-4-3-5-8(11)10-7/h3-6H,1-2H3,(H2,9,10,11)
InChIKeyCPSSBMGCHRRJTQ-UHFFFAOYSA-N
XLogP2.56
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.27
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6-(propan-2-ylamino)-1H-pyridine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(propan-2-ylamino)-1H-pyridine-2-thione?
The IUPAC name of 6-(propan-2-ylamino)-1H-pyridine-2-thione (CID 139458752) is 6-(propan-2-ylamino)-1H-pyridine-2-thione.
What is the SMILES notation for 6-(propan-2-ylamino)-1H-pyridine-2-thione?
The canonical SMILES for 6-(propan-2-ylamino)-1H-pyridine-2-thione is CC(C)Nc1cccc(=S)[nH]1.
What is the InChIKey of 6-(propan-2-ylamino)-1H-pyridine-2-thione?
The InChIKey is CPSSBMGCHRRJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-6(2)9-7-4-3-5-8(11)10-7/h3-6H,1-2H3,(H2,9,10,11).
What are the key properties of 6-(propan-2-ylamino)-1H-pyridine-2-thione?
6-(propan-2-ylamino)-1H-pyridine-2-thione has a molecular weight of 168.27 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propan-2-ylamino)-1H-pyridine-2-thione is sourced from PubChem (CID 139458752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).